- InChI
- InChI=1S/C15H24O3/c1-6-15(5)9-13(17)14(18-15)11(4)12(16)8-7-10(2)3/h6-7,11,13-14,17H,1,8-9H2,2-5H3/t11?,13?,14-,15+/m0/s1
- InChI Key
- WMHAHVRQYWIAOQ-RIXNLZLZSA-N
- Formula
- C15H24O3
- SMILES
-
C=CC1(C)CC(O)C(C(C)C(=O)CC=C(C
)C)O1 - Molecular Weight1
- 252.35
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5612 | Relay (... Calculated Property | |
| ΔfG° | -103.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -561.65 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 32.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.97 | kJ/mol | Relay (... Calculated Property |
| IE | 8.38 | eV | Relay (... Calculated Property |
| log10WS | -2.07 | Relay (... Calculated Property | |
| logPoct/wat | 2.642 | Crippen Calculated Property | |
| McVol | 216.060 | ml/mol | McGowan Calculated Property |
| Pc | 1982.35 | kPa | Joback Calculated Property |
| Inp | 1644.00 | NIST | |
| Tboil | 584.83 | K | Relay (... Calculated Property |
| Tc | 767.06 | K | Relay (... Calculated Property |
| Tfus | 374.64 | K | Relay (... Calculated Property |
| Vc | 0.751 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [641.75; 732.18] | J/mol×K | [722.06; 921.15] | 
|
| Cp,gas | 641.75 | J/mol×K | 722.06 | Joback Calculated Property |
| Cp,gas | 658.12 | J/mol×K | 755.24 | Joback Calculated Property |
| Cp,gas | 673.83 | J/mol×K | 788.42 | Joback Calculated Property |
| Cp,gas | 688.97 | J/mol×K | 821.61 | Joback Calculated Property |
| Cp,gas | 703.67 | J/mol×K | 854.79 | Joback Calculated Property |
| Cp,gas | 718.04 | J/mol×K | 887.97 | Joback Calculated Property |
| Cp,gas | 732.18 | J/mol×K | 921.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hydroxyisodavanone.
Sources
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